3-[2-(4-chloro-3,5-dimethylphenoxy)acetohydrazido]-N-(2-ethoxyphenyl)but-2-enamide

3-[2-(4-chloro-3,5-dimethylphenoxy)acetohydrazido]-N-(2-ethoxyphenyl)but-2-enamide

Formula: C22H26ClN3O4

SMILES: CCOC1=CC=CC=C1NC(=O)C=C(C)NNC(=O)COC1=CC(C)=C(Cl)C(C)=C1

IUPAC: 3-[2-(4-chloro-3,5-dimethylphenoxy)acetohydrazido]-N-(2-ethoxyphenyl)but-2-enamide

InChI: InChI=1S/C22H26ClN3O4/c1-5-29-19-9-7-6-8-18(19)24-20(27)12-16(4)25-26-21(28)13-30-17-10-14(2)22(23)15(3)11-17/h6-12,25H,5,13H2,1-4H3,(H,24,27)(H,26,28)

Composition: C (61.18%), H (6.07%), Cl (8.21%), N (9.73%), O (14.82%)

Molar Mass: 431.92

Atom Count: 56

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	431.161184
Formal Charge	0
FSP3	0.27
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
InChIKey	KHJBWXUGPQKAOY-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	130.44
Topological Polar Surface Area	88.69
Polarizability	44.72
Ring Count	2
Rotatable Bond Count	9

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C22H26ClN3O4		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00